diethyl 6-(4,5-dimethyl-2-pyridinyl)pyridine-3,4-dicarboxylate

C18H20N2O4 — CID 122232828

IUPACdiethyl 6-(4,5-dimethyl-2-pyridinyl)pyridine-3,4-dicarboxylate
SMILESCCOC(=O)c1cnc(-c2cc(C)c(C)cn2)cc1C(=O)OCC
InChIInChI=1S/C18H20N2O4/c1-5-23-17(21)13-8-16(15-7-11(3)12(4)9-19-15)20-10-14(13)18(22)24-6-2/h7-10H,5-6H2,1-4H3
InChIKeyAJYUZSCVLHCVME-UHFFFAOYSA-N
MW328.37 g/mol
LogP3.11
Rot. Bonds5

About diethyl 6-(4,5-dimethyl-2-pyridinyl)pyridine-3,4-dicarboxylate

diethyl 6-(4,5-dimethyl-2-pyridinyl)pyridine-3,4-dicarboxylate (PubChem CID 122232828) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is diethyl 6-(4,5-dimethyl-2-pyridinyl)pyridine-3,4-dicarboxylate.

Molecular Properties

Compound Namediethyl 6-(4,5-dimethyl-2-pyridinyl)pyridine-3,4-dicarboxylate
PubChem CID122232828
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC Namediethyl 6-(4,5-dimethyl-2-pyridinyl)pyridine-3,4-dicarboxylate
SMILESCCOC(=O)c1cnc(-c2cc(C)c(C)cn2)cc1C(=O)OCC
InChIInChI=1S/C18H20N2O4/c1-5-23-17(21)13-8-16(15-7-11(3)12(4)9-19-15)20-10-14(13)18(22)24-6-2/h7-10H,5-6H2,1-4H3
InChIKeyAJYUZSCVLHCVME-UHFFFAOYSA-N
XLogP3.11
TPSA78.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-chloro-4-ethoxycarbonylpyridine-3-carboxylic acid
CID 163257477
4-O-ethyl 2-O,5-O-dimethyl pyridine-2,4,5-tricarboxylate
CID 23171065
ethyl 5-carbonochloridoyl-2-chloropyridine-4-carboxylate
CID 163257915
diethyl phthalazine-6,7-dicarboxylate
CID 13115748
tetraethyl pentacene-2,3,9,10-tetracarboxylate
CID 102587612
ethyl 2-cyano-5-methylpyridine-3-carboxylate
CID 117275747
ethyl 4-chloro-6,8-dimethylquinoline-3-carboxylate
CID 3352918
ethyl 5-fluoro-2-(4-fluorophenyl)pyridine-4-carboxylate
CID 156896155
ethyl 4-chloro-5,7-dimethylquinoline-3-carboxylate
CID 1479090
diethyl pyrimidine-4,5-dicarboxylate
CID 13000769
ethyl 6-(1-chloroethyl)-4-methylpyridine-3-carboxylate
CID 175365234
diethyl 4,5-dichlorobenzene-1,2-dicarboxylate
CID 10517655

Frequently Asked Questions

What is the IUPAC name of diethyl 6-(4,5-dimethyl-2-pyridinyl)pyridine-3,4-dicarboxylate?
The IUPAC name of diethyl 6-(4,5-dimethyl-2-pyridinyl)pyridine-3,4-dicarboxylate (CID 122232828) is diethyl 6-(4,5-dimethyl-2-pyridinyl)pyridine-3,4-dicarboxylate.
What is the SMILES notation for diethyl 6-(4,5-dimethyl-2-pyridinyl)pyridine-3,4-dicarboxylate?
The canonical SMILES for diethyl 6-(4,5-dimethyl-2-pyridinyl)pyridine-3,4-dicarboxylate is CCOC(=O)c1cnc(-c2cc(C)c(C)cn2)cc1C(=O)OCC.
What is the InChIKey of diethyl 6-(4,5-dimethyl-2-pyridinyl)pyridine-3,4-dicarboxylate?
The InChIKey is AJYUZSCVLHCVME-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4/c1-5-23-17(21)13-8-16(15-7-11(3)12(4)9-19-15)20-10-14(13)18(22)24-6-2/h7-10H,5-6H2,1-4H3.
What are the key properties of diethyl 6-(4,5-dimethyl-2-pyridinyl)pyridine-3,4-dicarboxylate?
diethyl 6-(4,5-dimethyl-2-pyridinyl)pyridine-3,4-dicarboxylate has a molecular weight of 328.37 g/mol, XLogP of 3.11, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 6-(4,5-dimethyl-2-pyridinyl)pyridine-3,4-dicarboxylate is sourced from PubChem (CID 122232828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).